9-fluoranyl-5-piperazin-1-yl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide; methanesulfonic acid

Systemtic Name: 9-fluoranyl-5-piperazin-1-yl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide; methanesulfonic acid Openeye Name: 9-fluoro-3-isopropyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide; methanesulfonic acid CAS Name: 9-fluoro-5-(1-piperazinyl)-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide; methanesulfonic acid IUPAC Name: 9-fluoro-5-piperazin-1-yl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide; methanesulfonic acid Traditional Name: 9-fluoro-3-isopropyl-5-piperazino-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide; mesylic acid Formula: C23H33FN2O7S3 MolecularWeight: 564.710723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)S(=O)C3=C(CC2N4CCNCC4)C=CC(=C3)F.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)S(=O)C3=C(CC2N4CCNCC4)C=CC(=C3)F.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C21H25FN2OS.2CH4O3S/c1-14(2)15-4-6-20-18(11-15)19(24-9-7-23-8-10-24)12-16-3-5-17(22)13-21(16)26(20)25;2*1-5(2,3)4/h3-6,11,13-14,19,23H,7-10,12H2,1-2H3;2*1H3,(H,2,3,4)